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(3Z,6E)-1,3,6-Octatriene
SpectraBase Compound ID LOaywLu7dKf
InChI InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-7H,1,8H2,2H3/b6-4+,7-5-
InChIKey PKHBEGZTQNOZLP-GUBXDBFYSA-N
Mol Weight 108.18 g/mol
Molecular Formula C8H12
Exact Mass 108.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8Uz7gJ0wKy
Name (3Z,6E)-1,3,6-Octatriene
Alternate Name(s) (3Z,6E)-octa-1,3,6-triene 1,3,6-Octatriene 1,3,6-Octatriene, (Z,E)- 1,cis-3,trans-6-Octatriene
CAS Registry Number 22038-68-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12
InChI InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-7H,1,8H2,2H3/b6-4+,7-5-
InChIKey PKHBEGZTQNOZLP-GUBXDBFYSA-N
Molecular Weight 108.184 g/mol
SMILES C\C=C\C\C=C/C=C
SPLASH splash10-004l-9000000000-487ba91899dc292ba9c4
Source of Spectrum HE-1982-0-0
Wiley ID 1121898